Information card for entry 2108326

Structure parameters

• Chemical name: barium lithium fluoride oxide
• Formula: Ba F2.8 Li O0.1
• Calculated formula: Ba F2.7999 Li O0.0999
• Title of publication: The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways
• Authors of publication: Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• a: 4.0406 ± 0.0002 Å
• b: 4.0406 ± 0.0002 Å
• c: 4.0406 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 65.969 ± 0.006 ų
• Cell temperature: 685 ± 3 K
• Ambient diffraction temperature: 685 ± 3 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0114
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for significantly intense reflections: 0.86
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8386 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No